6QR8
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.850, 76.329, 86.381 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.198 - 2.150 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.330 | 76.330 | 2.260 |
| High resolution limit [Å] | 2.150 | 6.790 | 2.150 |
| Rmerge | 0.134 | 0.055 | 1.050 |
| Rmeas | 0.142 | 0.058 | 1.110 |
| Rpim | 0.046 | 0.019 | 0.354 |
| Total number of observations | 260273 | ||
| Number of reflections | 27662 | 985 | 3976 |
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 9.4 | 8.1 | 9.5 |
| CC(1/2) | 0.998 | 0.999 | 0.746 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.08M Sodium cacodylate pH 6.5 -7.0, 1-2 M Ammonium sulphate |
